Molecule Details
| InChIKey | HLENBKTVSREWEE-AREMUKBSSA-N |
|---|---|
| Compound Name | 4-[[(2R)-7-ethylsulfonyl-3,12-dioxo-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(19),6,8,10(21),16(20),17-hexaen-2-yl]amino]benzenecarboximidamide |
| Canonical SMILES | CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc(C(=N)N)cc1)c1ccc(cc1)CCCC(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 9.2 | Ki | ChEMBL;BindingDB |
| P13726 | F3 | Homo sapiens | Human | PF09294 PF01108 | 9.2 | Ki | ChEMBL |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 7.4 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 7.3 | Ki | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 7.2 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 7.2 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 7.2 | Ki | ChEMBL |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.7 | Ki | ChEMBL;BindingDB |